SCHEMBL2820623

SCHEMBL2820623

CN1CCN(CCOc2ccc(C(F)(F)F)cc2NC(=O)Nc2ccc(-c3cc(C(C)(C)C)nc4c3cnn4C)cc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 17/20 0.48
HTR2C P28335 17/20 0.48
KDR P35968 2/20 0.41
TEK Q02763 1/20 0.41
FLT3 P36888 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL12973381 0.95 HTR2A (0.54) HTR2AHTR2C
SCHEMBL2819647 0.88 RAF1 (0.44) HTR2AHTR2CKDRFLT3
SCHEMBL5265879 0.87 KDR (0.49) HTR2AHTR2CKDRTEKFLT3
SCHEMBL2816854 0.82 HTR2A (0.51) HTR2AHTR2CKDRFLT3
SCHEMBL12973383 0.81 KDR (0.49) KDRFLT3
SCHEMBL14339725 0.81 HTR2A (0.43) HTR2AHTR2CKDRTEKFLT3
SCHEMBL12973380 0.80 FLT3 (0.51) KDRFLT3
SCHEMBL12973382 0.79 FGFR4 (0.56) KDR
SCHEMBL12973374 0.78 KDR (0.54) HTR2AHTR2CKDRFLT3
SCHEMBL12973387 0.78 S1PR2 (0.45) HTR2AHTR2CKDRFLT3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2061790-B1 Substituted aminopyrazolopyridines and salts thereof, their preparations and pharmaceutical compositions comprising them BAYER IP GMBH (DE) 2014-08-13 EP claimed
US-7846928-B2 Substituted pyrazolopyridines and salts thereof, pharmaceutical compositions comprising same, methods of preparing same and uses of same BAYER SCHERING PHARMA AG (DE) 2010-12-07 US claimed
EP-2061790-A1 SUBSTITUTED AMINOPYRAZOLOPYRIDINES AND SALTS THEREOF, THEIR PREPARATIONS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM Bayer Schering Pharma Aktiengesellschaft (DE) 2009-05-27 EP claimed
US-20080058326-A1 SUBSTITUTED PYRAZOLOPYRIDINES AND SALTS THEREOF, PHARMACEUTICAL COMPOSITIONS COMPRISING SAME, METHODS OF PREPARING SAME AND USES OF SAME BAYER INTELLECTUAL PROPERTY GMBH (DE) 2008-03-06 US claimed
WO-2007144204-A1 SUBSTITUTED AMINOPYRAZOLOPYRIDINES AND SALTS THEREOF, THEIR PREPARATIONS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-12-21 WO claimed
EP-2061790-B1 Substituted aminopyrazolopyridines and salts thereof, their preparations and pharmaceutical compositions comprising them BAYER IP GMBH (DE) 2014-08-13 EP disclosed
US-7846928-B2 Substituted pyrazolopyridines and salts thereof, pharmaceutical compositions comprising same, methods of preparing same and uses of same BAYER SCHERING PHARMA AG (DE) 2010-12-07 US disclosed
US-7846928-B2 Substituted pyrazolopyridines and salts thereof, pharmaceutical compositions comprising same, methods of preparing same and uses of same BAYER SCHERING PHARMA AG (DE) 2010-12-07 US disclosed
US-20080058326-A1 SUBSTITUTED PYRAZOLOPYRIDINES AND SALTS THEREOF, PHARMACEUTICAL COMPOSITIONS COMPRISING SAME, METHODS OF PREPARING SAME AND USES OF SAME BAYER INTELLECTUAL PROPERTY GMBH (DE) 2008-03-06 US disclosed
US-20080058326-A1 SUBSTITUTED PYRAZOLOPYRIDINES AND SALTS THEREOF, PHARMACEUTICAL COMPOSITIONS COMPRISING SAME, METHODS OF PREPARING SAME AND USES OF SAME BAYER INTELLECTUAL PROPERTY GMBH (DE) 2008-03-06 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080058326-A1 SUBSTITUTED PYRAZOLOPYRIDINES AND SALTS THEREOF, PHARMACEUTICAL COMPOSITIONS COMPRISING SAME, METHODS OF PREPARING SAME AND USES OF SAME KDR, TIE1, FLT1 HTR2A 2086/4885HTR2C 2267/4885KDR 1/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.